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2 0 81 82 1 0 82 83 2 0 83 84 1 0 84 56 1 0 83 85 1 0 76 86 1 0 77 87 2 0 67 88 1 6 75 89 1 6 88 90 1 0 90 91 2 0 90 92 1 0 92 93 1 0 92 94 1 1 93 95 1 0 93 96 1 0 95 97 2 0 68 98 1 0 101102 1 0 102103 1 4 102104 1 4 60106 1 0 105106 1 0 95107 1 0 99109 1 0 100109 1 0 101109 1 0 107108 1 0 108109 1 0 79111 1 6 110111 1 0 112113 2 0 113114 1 0 114115 2 0 115116 1 0 116117 2 0 117112 1 0 115118 1 0 118119 1 0 118120 1 0 116121 1 0 120122 2 0 120123 1 0 123124 1 0 124125 1 0 125126 1 0 126127 1 1 125127 1 1 126128 1 0 128129 1 0 128130 1 6 129131 1 0 131132 1 0 132133 1 0 133134 1 0 134135 1 0 129135 1 1 132136 1 0 136137 1 0 137138 2 0 138139 1 0 139140 2 0 140141 1 0 141113 1 0 140142 1 0 133143 1 0 134144 2 0 124145 1 6 132146 1 6 145147 1 0 147148 2 0 147149 1 0 149150 1 0 149151 1 1 150152 1 0 150153 1 0 152154 2 0 125155 1 0 158159 1 0 159160 1 4 159161 1 4 152162 1 0 156164 1 0 157164 1 0 158164 1 0 162163 1 0 163164 1 0 136166 1 6 165166 1 0 117168 1 0 167168 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 48 49 50 M SBL 1 2 50 51 M SMT 1 CH2CH2S M SBV 1 50 0.2062 -0.3572 M SBV 1 51 1.4581 -0.3572 M SAP 1 2 48 41 Al 50 44 Br M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 51 52 M SBL 2 1 54 M SMT 2 CH3^O M SBV 2 54 0.0000 0.8250 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 53 54 M SBL 3 1 56 M SMT 3 CH3^O M SBV 3 56 0.7969 -0.2135 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 105 106 M SBL 4 1 108 M SMT 4 CH3^O M SBV 4 108 0.7412 -0.1986 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 3 107 108 109 M SBL 5 4 110 111 112 113 M SMT 5 CH2CH2C M SBV 5 110 0.5444 -0.1287 M SBV 5 111 0.9612 0.5887 M SBV 5 112 0.9612 -0.9460 M SBV 5 113 1.6416 -0.1786 M SAP 5 4 107 95 Al 109 99 Br 109 100 Cr 109 101 Dr M STY 1 6 SUP M SLB 1 6 6 M SAL 6 2 110 111 M SBL 6 1 116 M SMT 6 CH3^O M SBV 6 116 0.0000 0.7674 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 3 162 163 164 M SBL 7 4 168 169 170 171 M SMT 7 CH2CH2C M SBV 7 168 0.5444 -0.1287 M SBV 7 169 0.9612 0.5887 M SBV 7 170 0.9612 -0.9460 M SBV 7 171 1.6416 -0.1786 M SAP 7 4 162 152 Al 164 156 Br 164 157 Cr 164 158 Dr M STY 1 8 SUP M SLB 1 8 8 M SAL 8 2 165 166 M SBL 8 1 174 M SMT 8 CH3^O M SBV 8 174 0.0000 0.7674 M STY 1 9 SUP M SLB 1 9 9 M SAL 9 2 167 168 M SBL 9 1 176 M SMT 9 CH3^O M SBV 9 176 0.7412 -0.1986 M END